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2-Hexenal, (E)-


Normal alkane RI, non-polar column, custom temperature program

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SLB-5 MSSLB-5 MSHP-5VF-5 MSDB-5
Column length (m) 30.30.30.30.60.
Carrier gas HeliumHeliumNitrogenHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.350.250.25
Phase thickness (mum) 0.250.250.250.251.00
Program not specifiednot specified60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C (2 min)not specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
I 847.850.873.854.864.
ReferenceMondello, 2012Mondello, 2012Veres, Csupor-Loffler, et al., 2012Liu, Lu, et al., 2011Miyazaki, Plotto, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSDB-1DB-5DB-1HP-5
Column length (m) 30.30.30.60.25.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.17
Program 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0Cnot specified50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C
I 854.827.863.829.854.
ReferenceNance and Setzer, 2011Xu, Tang, et al., 2010Courtois, Paine, et al., 2009Delort and Jaquier, 2009Maggi, Bilek, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5SLB-5 MSDB-1
Column length (m) 30.60.30.30.30.
Carrier gas  HeliumHeliumHeliumHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum)  0.250.250.250.25
Program not specified30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)not specifiednot specified45C => 3C/min => 175C => 15C/min => 300C (10min)
I 852.876.854.850.866.
ReferenceRiahi, Pourbasheer, et al., 2009Rotsatschakul, Visesanguan, et al., 2009Bastos, Ishimoto, et al., 2008Lo Presti, Sciarrone, et al., 2008Nogueira, Marcelo-Curto, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5 MSHP-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.250.251.00.250.25
Program 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)not specified-10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min)40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C
I 847.848.856.852.853.
ReferenceQiao, Xie, et al., 2008Qiao, Xie, et al., 2008Watanabe, Ueda, et al., 2008Xie, Sun, et al., 2008Xie, Sun, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1DB-5HP-5HP-5MSHP-5
Column length (m) 50.30.50.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.20.250.320.250.32
Phase thickness (mum) 0.330.251.050.250.25
Program 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min)40C(10min) => 3C/min => 200C => 2C/min => 220C40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min)
I 827.850.857.856.846.
ReferenceBarra, Baldovini, et al., 2007Beaulieu and Lancaster, 2007Carrapiso and Garsia, 2007Cole, Haber, et al., 2007Dou, Li, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSHP-5MSCP Sil 8 CBDB-5DB-5
Column length (m) 60. 30.50.30.
Carrier gas Helium HeliumHeliumHelium
Substrate      
Column diameter (mm) 0.32 0.250.320.25
Phase thickness (mum) 1.0 0.250.250.50
Program 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)not specifiednot specified60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C
I 857.841.854.855.854.
ReferenceLiu, Xu, et al., 2007Mallia, Escher, et al., 2007Marques, Wendler, et al., 2007Nivinsliene, Butkiene, et al., 2007Soares, Pereira, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MS5 % Phenyl methyl siloxaneUltra-2HP-5HP-5 MS
Column length (m) 30.30.25.30.30.
Carrier gas He H2HeHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum)  0.750.330.250.25
Program 40C(10min) => 3C/min => 200C => 2C/min => 220C50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)not specified60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
I 856.853.854.849.875.
ReferenceTakaku, Haber, et al., 2007Beaulieu J.C. and Lea J.M., 2006Ceva-Antunes, Bizzo, et al., 2006Jordan, Martinez, et al., 2006Schmidt, Noletto, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSDB-5BP-5Polydimethyl siloxane with 5 % Ph groupsHP-5
Column length (m) 30.60.25.  
Carrier gas Helium Helium  
Substrate      
Column diameter (mm) 0.250.250.32  
Phase thickness (mum) 0.250.250.50  
Program 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C50C => 5C/min => 100C => 15C/min => 250C (19C)60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)not specifiednot specified
I 850.850.867.854.854.
ReferenceSchmidt, Noletto, et al., 2006Beaulieu, 2005Eyres, Dufour, et al., 2005Pino, Marbot, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-5SE-30HP-5DB-5
Column length (m) 30.50. 30.30.
Carrier gas He   H2
Substrate      
Column diameter (mm) 0.250.32 0.250.3
Phase thickness (mum) 0.251.05 0.250.25
Program 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)not specified40C(6min) => 2.5C/min => 150C => 90C/min => 250C35C (1min) => 40C/min => 60C (5min) => 4C/min => 240C
I 854.857.832.857.858.
ReferenceCrook, Boylston, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Vinogradov, 2004Jordán, Margaría, et al., 2003Triqui and Bouchriti, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5DB-1DB-1
Column length (m) 30.30.30.30.30.
Carrier gas   HeH2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C (6min) => 2.5C/min => 150C => 90C/min => 250C40C (6min) => 2.5C/min => 150C => 90C/min => 250C40C => 2C/min => 60C => 4C/min => 260C40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min)45C => 3C/min => 175C => 15C/min => 300C(10min)
I 857.835.851.866.866.
ReferenceJordán, Margaría, et al., 2002Jordán, Margaría, et al., 2002Andrade, Maia, et al., 2000da Silva, Pedro, et al., 2000Santos, Figueiredo, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SF-96HP-1SE-54DB-1
Column length (m) 25.40.25.30.30.
Carrier gas     H2
Substrate      
Column diameter (mm) 0.310.280.320.320.25
Phase thickness (mum)    0.250.25
Program not specified75C => 3C/min => 190C(25min) => 3C/min => 210Cnot specified35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C45C => 3C/min => 175C => 15C/min => 240C(10min)
I 847.827.826.850.866.
ReferenceDing, Deng, et al., 1998Kawasaki, Matsui, et al., 1998Ong, Acree, et al., 1998Reiners and Grosch, 1998Figueiredo, Barroso, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54DB-1DB-1SE-54
Column length (m) 30.30.60.60.30.
Carrier gas     He
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum)  0.20  0.3
Program not specified2 min at 35 0C; 35-50 0C at 40 deg/min; 5 min at 50 0C; 50 - 220 0C at 4 deg/min;not specifiednot specified35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min)
I 856.855.823.823.854.
ReferenceJean, Garneau, et al., 1993Schieberle, Ofner, et al., 1990Binder, Flath, et al., 1989Binder and Flath, 1989Blank, Fischer, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-1SF96+Igepal
Column length (m)  152.
Carrier gas   
Substrate   
Column diameter (mm)  0.76
Phase thickness (mum)   
Program not specified25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C
I 832.838.
ReferenceMacLeod and Snyder, 1988Flath, Altieri, et al., 1984
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Veres, Csupor-Loffler, et al., 2012
Veres, K.; Csupor-Loffler, B.; Lazar, A.; Holmann, J., Antifungal activity and composition of essential oils of Conyza canadensis herbs and roots, The Sci. World. J., 2012, 2012, 1-5, https://doi.org/10.1100/2012/489646 . [all data]

Liu, Lu, et al., 2011
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

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Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

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Delort and Jaquier, 2009
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Maggi, Bilek, et al., 2009
Maggi, F.; Bilek, T.; Lucarini, D.; Papa, F.; Sagratini, G.; Vittori, S., Melittis melissophyllum L. subsp. melissophylum (Lamiaceae) from central Italy: A new source of a mushrrom-like flavour, Food Chem., 2009, 113, 1, 216-221, https://doi.org/10.1016/j.foodchem.2008.07.066 . [all data]

Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P., Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine, J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

Bastos, Ishimoto, et al., 2008
Bastos, D.H.M.; Ishimoto, E.Y.; Marques, O.M.; Ferri, A.F.; Torres, E.A.F.S., Essential Oil and Antioxidant Activity of Green Mate and Mate Tea (Ilex paraguariensis) Infusions, 2008, retrieved from http://www.aseanfood.info/Articles/11016488.pdf. [all data]

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Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y., Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O, Molecules, 2008, 13, 6, 1333-1344, https://doi.org/10.3390/molecules13061333 . [all data]

Watanabe, Ueda, et al., 2008
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Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A., Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe, J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n . [all data]

Carrapiso and Garsia, 2007
Carrapiso, A.I.; Garsia, C., Effect of sampling conditions on the odour-active compounds of iberian ham, Cienc. Technol. Aliment., 2007, 5, 4, 287-290, https://doi.org/10.1080/11358120709487703 . [all data]

Cole, Haber, et al., 2007
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Dou, Li, et al., 2007
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Liu, Xu, et al., 2007
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Soares, Pereira, et al., 2007
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Takaku, Haber, et al., 2007
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Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M., Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction, J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l . [all data]

Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C., Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME), LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007 . [all data]

Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A., Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition, Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011 . [all data]

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Beaulieu, 2005
Beaulieu, J.C., Within-Season Volatile and Quality Differences in Stored Fresh-Cut Cantaloupe Cultivars, J. Agric. Food Chem., 2005, 53, 22, 8679-8687, https://doi.org/10.1021/jf050241w . [all data]

Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J., Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS), J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A., Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage, J. Agric. Food Chem., 2004, 52, 23, 6997-7004, https://doi.org/10.1021/jf049454w . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Jordán, Margaría, et al., 2003
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Notes

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